USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= 0.771 K(o=1.9,f=-3.5) USER MOD Set 1.2: A 110 SER OG : rot 147:sc= 1.18 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.644 USER MOD Set 2.2: A 57 MET CE :methyl -179:sc= -4! (180deg=-3.82!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 60 SER OG : rot -24:sc= 0.284 USER MOD Single : A 66 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.013) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl 168:sc= -1.14 (180deg=-1.25) USER MOD Single : A 79 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 81 MET CE :methyl -144:sc= -1.51 (180deg=-4.99!) USER MOD Single : A 82 HIS : no HD1:sc= -14.9! C(o=-15!,f=-16!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= -1.31 (180deg=-1.84) USER MOD Single : A 90 THR OG1 : rot -100:sc= -3.37! USER MOD Single : A 92 MET CE :methyl -117:sc= -6.31! (180deg=-9.77!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot -74:sc= 0.75 USER MOD Single : A 104 MET CE :methyl -162:sc= -9.71! (180deg=-10.5!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.719 9.476 3.504 1.00 0.00 N ATOM 766 CA LEU A 53 1.911 9.232 4.311 1.00 0.00 C ATOM 767 C LEU A 53 2.656 7.992 3.832 1.00 0.00 C ATOM 768 O LEU A 53 2.043 6.994 3.450 1.00 0.00 O ATOM 769 CB LEU A 53 1.533 9.069 5.785 1.00 0.00 C ATOM 770 CG LEU A 53 2.320 9.955 6.757 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.374 10.773 7.620 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.237 9.116 7.634 1.00 0.00 C ATOM 0 HA LEU A 53 2.569 10.094 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.471 9.286 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.678 8.027 6.069 1.00 0.00 H new ATOM 0 HG LEU A 53 2.935 10.636 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.951 11.396 8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.758 11.408 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.733 10.103 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.785 9.767 8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.642 8.407 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.943 8.572 7.006 1.00 0.00 H new ATOM 784 N THR A 54 3.983 8.067 3.848 1.00 0.00 N ATOM 785 CA THR A 54 4.826 6.953 3.432 1.00 0.00 C ATOM 786 C THR A 54 6.280 7.219 3.809 1.00 0.00 C ATOM 787 O THR A 54 6.573 8.150 4.559 1.00 0.00 O ATOM 788 CB THR A 54 4.711 6.713 1.924 1.00 0.00 C ATOM 789 OG1 THR A 54 3.847 7.663 1.323 1.00 0.00 O ATOM 790 CG2 THR A 54 4.190 5.335 1.575 1.00 0.00 C ATOM 0 H THR A 54 4.500 8.894 4.147 1.00 0.00 H new ATOM 0 HA THR A 54 4.483 6.057 3.950 1.00 0.00 H new ATOM 0 HB THR A 54 5.727 6.809 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.791 7.491 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.133 5.231 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.864 4.579 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.197 5.202 2.005 1.00 0.00 H new ATOM 798 N ALA A 55 7.183 6.402 3.279 1.00 0.00 N ATOM 799 CA ALA A 55 8.606 6.545 3.570 1.00 0.00 C ATOM 800 C ALA A 55 9.102 7.954 3.258 1.00 0.00 C ATOM 801 O ALA A 55 9.920 8.506 3.993 1.00 0.00 O ATOM 802 CB ALA A 55 9.409 5.517 2.793 1.00 0.00 C ATOM 0 H ALA A 55 6.956 5.635 2.646 1.00 0.00 H new ATOM 0 HA ALA A 55 8.747 6.372 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.468 5.636 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.087 4.515 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.248 5.662 1.725 1.00 0.00 H new ATOM 808 N SER A 56 8.607 8.529 2.166 1.00 0.00 N ATOM 809 CA SER A 56 8.999 9.879 1.775 1.00 0.00 C ATOM 810 C SER A 56 8.628 10.877 2.865 1.00 0.00 C ATOM 811 O SER A 56 9.436 11.726 3.246 1.00 0.00 O ATOM 812 CB SER A 56 8.331 10.271 0.457 1.00 0.00 C ATOM 813 OG SER A 56 8.224 9.157 -0.413 1.00 0.00 O ATOM 0 H SER A 56 7.937 8.084 1.539 1.00 0.00 H new ATOM 0 HA SER A 56 10.080 9.895 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.339 10.678 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.908 11.059 -0.026 1.00 0.00 H new ATOM 0 HG SER A 56 7.792 9.434 -1.248 1.00 0.00 H new ATOM 819 N MET A 57 7.406 10.758 3.374 1.00 0.00 N ATOM 820 CA MET A 57 6.932 11.628 4.441 1.00 0.00 C ATOM 821 C MET A 57 7.842 11.508 5.656 1.00 0.00 C ATOM 822 O MET A 57 8.201 12.504 6.283 1.00 0.00 O ATOM 823 CB MET A 57 5.501 11.256 4.833 1.00 0.00 C ATOM 824 CG MET A 57 4.433 11.780 3.883 1.00 0.00 C ATOM 825 SD MET A 57 5.052 12.101 2.219 1.00 0.00 S ATOM 826 CE MET A 57 4.960 10.463 1.503 1.00 0.00 C ATOM 0 H MET A 57 6.725 10.065 3.063 1.00 0.00 H new ATOM 0 HA MET A 57 6.946 12.657 4.081 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.422 10.170 4.886 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.300 11.639 5.833 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.620 11.056 3.827 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.014 12.700 4.291 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.327 10.493 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.572 9.776 2.087 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.925 10.121 1.508 1.00 0.00 H new ATOM 836 N LEU A 58 8.210 10.272 5.972 1.00 0.00 N ATOM 837 CA LEU A 58 9.096 9.993 7.092 1.00 0.00 C ATOM 838 C LEU A 58 10.420 10.725 6.919 1.00 0.00 C ATOM 839 O LEU A 58 10.907 11.385 7.838 1.00 0.00 O ATOM 840 CB LEU A 58 9.353 8.486 7.186 1.00 0.00 C ATOM 841 CG LEU A 58 8.229 7.633 7.795 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.989 8.465 8.104 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.883 6.489 6.854 1.00 0.00 C ATOM 0 H LEU A 58 7.905 9.442 5.463 1.00 0.00 H new ATOM 0 HA LEU A 58 8.618 10.340 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.559 8.112 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.256 8.331 7.776 1.00 0.00 H new ATOM 0 HG LEU A 58 8.589 7.227 8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.219 7.824 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.246 9.250 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.615 8.916 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.086 5.887 7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.551 6.892 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.764 5.866 6.699 1.00 0.00 H new ATOM 855 N ALA A 59 10.990 10.604 5.726 1.00 0.00 N ATOM 856 CA ALA A 59 12.263 11.242 5.411 1.00 0.00 C ATOM 857 C ALA A 59 12.112 12.757 5.295 1.00 0.00 C ATOM 858 O ALA A 59 13.091 13.471 5.082 1.00 0.00 O ATOM 859 CB ALA A 59 12.831 10.668 4.122 1.00 0.00 C ATOM 0 H ALA A 59 10.589 10.067 4.957 1.00 0.00 H new ATOM 0 HA ALA A 59 12.954 11.037 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.781 11.151 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.988 9.596 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.131 10.845 3.305 1.00 0.00 H new ATOM 865 N SER A 60 10.882 13.241 5.438 1.00 0.00 N ATOM 866 CA SER A 60 10.606 14.669 5.338 1.00 0.00 C ATOM 867 C SER A 60 10.743 15.357 6.694 1.00 0.00 C ATOM 868 O SER A 60 10.677 16.584 6.783 1.00 0.00 O ATOM 869 CB SER A 60 9.200 14.898 4.784 1.00 0.00 C ATOM 870 OG SER A 60 8.956 16.276 4.563 1.00 0.00 O ATOM 0 H SER A 60 10.061 12.665 5.623 1.00 0.00 H new ATOM 0 HA SER A 60 11.339 15.103 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.081 14.350 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.462 14.502 5.482 1.00 0.00 H new ATOM 0 HG SER A 60 9.542 16.809 5.140 1.00 0.00 H new ATOM 876 N ALA A 61 10.938 14.566 7.746 1.00 0.00 N ATOM 877 CA ALA A 61 11.077 15.113 9.093 1.00 0.00 C ATOM 878 C ALA A 61 12.261 14.495 9.847 1.00 0.00 C ATOM 879 O ALA A 61 12.115 14.079 10.996 1.00 0.00 O ATOM 880 CB ALA A 61 9.788 14.897 9.874 1.00 0.00 C ATOM 0 H ALA A 61 11.003 13.549 7.693 1.00 0.00 H new ATOM 0 HA ALA A 61 11.274 16.181 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.898 15.307 10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.966 15.399 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.577 13.830 9.939 1.00 0.00 H new ATOM 946 N GLN A 66 10.621 10.942 11.882 1.00 0.00 N ATOM 947 CA GLN A 66 11.134 9.880 11.025 1.00 0.00 C ATOM 948 C GLN A 66 10.882 8.514 11.652 1.00 0.00 C ATOM 949 O GLN A 66 10.555 7.551 10.960 1.00 0.00 O ATOM 950 CB GLN A 66 12.634 10.070 10.785 1.00 0.00 C ATOM 951 CG GLN A 66 13.069 9.737 9.368 1.00 0.00 C ATOM 952 CD GLN A 66 14.257 8.796 9.330 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.284 9.097 8.722 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.123 7.646 9.982 1.00 0.00 N ATOM 0 HA GLN A 66 10.610 9.930 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.901 11.104 11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.188 9.443 11.483 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.234 9.285 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.323 10.658 8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.254 7.436 10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.889 6.973 9.991 1.00 0.00 H new ATOM 963 N LYS A 67 11.021 8.449 12.971 1.00 0.00 N ATOM 964 CA LYS A 67 10.805 7.209 13.706 1.00 0.00 C ATOM 965 C LYS A 67 9.695 7.378 14.740 1.00 0.00 C ATOM 966 O LYS A 67 9.706 6.730 15.787 1.00 0.00 O ATOM 967 CB LYS A 67 12.100 6.774 14.396 1.00 0.00 C ATOM 968 CG LYS A 67 12.663 7.817 15.347 1.00 0.00 C ATOM 969 CD LYS A 67 13.963 7.350 15.981 1.00 0.00 C ATOM 970 CE LYS A 67 14.685 8.493 16.679 1.00 0.00 C ATOM 971 NZ LYS A 67 15.894 8.023 17.410 1.00 0.00 N ATOM 0 H LYS A 67 11.283 9.243 13.555 1.00 0.00 H new ATOM 0 HA LYS A 67 10.501 6.439 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.916 5.853 14.948 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.848 6.546 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.834 8.748 14.807 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.933 8.031 16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.754 6.557 16.699 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.610 6.923 15.215 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.975 9.243 15.943 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.004 8.979 17.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.357 8.832 17.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.615 7.326 18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.555 7.582 16.740 1.00 0.00 H new ATOM 985 N GLN A 68 8.737 8.252 14.440 1.00 0.00 N ATOM 986 CA GLN A 68 7.631 8.516 15.353 1.00 0.00 C ATOM 987 C GLN A 68 6.286 8.466 14.630 1.00 0.00 C ATOM 988 O GLN A 68 5.378 7.746 15.044 1.00 0.00 O ATOM 989 CB GLN A 68 7.815 9.881 16.016 1.00 0.00 C ATOM 990 CG GLN A 68 6.748 10.206 17.048 1.00 0.00 C ATOM 991 CD GLN A 68 6.524 11.698 17.206 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.370 12.412 17.741 1.00 0.00 O ATOM 993 NE2 GLN A 68 5.378 12.177 16.736 1.00 0.00 N ATOM 0 H GLN A 68 8.705 8.788 13.573 1.00 0.00 H new ATOM 0 HA GLN A 68 7.633 7.737 16.116 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.794 9.914 16.495 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.811 10.653 15.246 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.811 9.730 16.758 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.037 9.782 18.010 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.704 11.549 16.299 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.172 13.173 16.812 1.00 0.00 H new ATOM 1002 N MET A 69 6.164 9.238 13.553 1.00 0.00 N ATOM 1003 CA MET A 69 4.919 9.294 12.793 1.00 0.00 C ATOM 1004 C MET A 69 4.748 8.067 11.899 1.00 0.00 C ATOM 1005 O MET A 69 3.770 7.962 11.158 1.00 0.00 O ATOM 1006 CB MET A 69 4.875 10.569 11.943 1.00 0.00 C ATOM 1007 CG MET A 69 5.866 10.572 10.789 1.00 0.00 C ATOM 1008 SD MET A 69 5.218 11.394 9.320 1.00 0.00 S ATOM 1009 CE MET A 69 6.611 12.418 8.859 1.00 0.00 C ATOM 0 H MET A 69 6.909 9.831 13.188 1.00 0.00 H new ATOM 0 HA MET A 69 4.096 9.305 13.508 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.868 10.695 11.545 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.074 11.428 12.583 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.783 11.069 11.104 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.130 9.544 10.539 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.450 12.823 7.860 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.711 13.237 9.571 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.521 11.818 8.865 1.00 0.00 H new ATOM 1019 N LEU A 70 5.697 7.137 11.978 1.00 0.00 N ATOM 1020 CA LEU A 70 5.641 5.922 11.165 1.00 0.00 C ATOM 1021 C LEU A 70 4.497 5.011 11.595 1.00 0.00 C ATOM 1022 O LEU A 70 3.850 4.380 10.760 1.00 0.00 O ATOM 1023 CB LEU A 70 6.961 5.140 11.230 1.00 0.00 C ATOM 1024 CG LEU A 70 7.888 5.449 12.416 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.142 5.400 13.741 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.046 4.466 12.435 1.00 0.00 C ATOM 0 H LEU A 70 6.509 7.199 12.592 1.00 0.00 H new ATOM 0 HA LEU A 70 5.469 6.244 10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.726 4.076 11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.513 5.327 10.309 1.00 0.00 H new ATOM 0 HG LEU A 70 8.269 6.462 12.288 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.831 5.624 14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.338 6.136 13.733 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.721 4.405 13.885 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.700 4.690 13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.660 3.451 12.535 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.610 4.550 11.506 1.00 0.00 H new ATOM 1038 N GLY A 71 4.274 4.908 12.900 1.00 0.00 N ATOM 1039 CA GLY A 71 3.215 4.053 13.395 1.00 0.00 C ATOM 1040 C GLY A 71 2.406 4.707 14.498 1.00 0.00 C ATOM 1041 O GLY A 71 1.842 4.023 15.351 1.00 0.00 O ATOM 0 H GLY A 71 4.805 5.399 13.620 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.552 3.788 12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.647 3.124 13.768 1.00 0.00 H new ATOM 1045 N GLU A 72 2.346 6.036 14.476 1.00 0.00 N ATOM 1046 CA GLU A 72 1.601 6.784 15.484 1.00 0.00 C ATOM 1047 C GLU A 72 0.846 7.952 14.860 1.00 0.00 C ATOM 1048 O GLU A 72 0.015 8.584 15.515 1.00 0.00 O ATOM 1049 CB GLU A 72 2.549 7.301 16.569 1.00 0.00 C ATOM 1050 CG GLU A 72 3.349 6.206 17.256 1.00 0.00 C ATOM 1051 CD GLU A 72 3.492 6.438 18.746 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.845 7.569 19.140 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.252 5.488 19.520 1.00 0.00 O ATOM 0 H GLU A 72 2.803 6.616 13.773 1.00 0.00 H new ATOM 0 HA GLU A 72 0.874 6.106 15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.239 8.018 16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.969 7.840 17.319 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.863 5.245 17.086 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.339 6.147 16.804 1.00 0.00 H new ATOM 1060 N ARG A 73 1.133 8.237 13.594 1.00 0.00 N ATOM 1061 CA ARG A 73 0.480 9.332 12.893 1.00 0.00 C ATOM 1062 C ARG A 73 -0.121 8.850 11.578 1.00 0.00 C ATOM 1063 O ARG A 73 -0.945 9.535 10.975 1.00 0.00 O ATOM 1064 CB ARG A 73 1.476 10.460 12.630 1.00 0.00 C ATOM 1065 CG ARG A 73 0.868 11.850 12.738 1.00 0.00 C ATOM 1066 CD ARG A 73 0.303 12.317 11.408 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.028 13.740 11.422 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.540 14.392 10.382 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.780 13.751 9.246 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.813 15.686 10.476 1.00 0.00 N ATOM 0 H ARG A 73 1.814 7.724 13.034 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.325 9.709 13.524 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.300 10.378 13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.899 10.334 11.633 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.077 11.845 13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.627 12.554 13.079 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.028 12.121 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.591 11.739 11.171 1.00 0.00 H new ATOM 0 HE ARG A 73 0.144 14.264 12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.572 12.755 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.173 14.254 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.630 16.184 11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.206 16.184 9.677 1.00 0.00 H new ATOM 1084 N LEU A 74 0.291 7.663 11.147 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.200 7.087 9.902 1.00 0.00 C ATOM 1086 C LEU A 74 -1.592 6.500 10.071 1.00 0.00 C ATOM 1087 O LEU A 74 -2.260 6.182 9.089 1.00 0.00 O ATOM 1088 CB LEU A 74 0.744 5.994 9.423 1.00 0.00 C ATOM 1089 CG LEU A 74 1.577 6.361 8.207 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.984 5.814 8.354 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.915 5.851 6.935 1.00 0.00 C ATOM 0 H LEU A 74 0.965 7.080 11.643 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.247 7.889 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.416 5.729 10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.159 5.104 9.190 1.00 0.00 H new ATOM 0 HG LEU A 74 1.642 7.447 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.572 6.083 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.447 6.237 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.945 4.729 8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.525 6.123 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.819 4.766 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.074 6.298 6.835 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.006 6.323 11.319 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.309 5.733 11.613 1.00 0.00 C ATOM 1105 C PHE A 75 -4.428 6.408 10.807 1.00 0.00 C ATOM 1106 O PHE A 75 -5.175 5.730 10.102 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.609 5.802 13.116 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.057 5.582 13.454 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.757 4.516 12.910 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.720 6.446 14.311 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -7.092 4.322 13.208 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.053 6.251 14.620 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.739 5.187 14.069 1.00 0.00 C ATOM 0 H PHE A 75 -1.462 6.578 12.143 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.271 4.685 11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.007 5.054 13.632 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.301 6.777 13.495 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.253 3.830 12.246 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.189 7.282 14.743 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.629 3.495 12.768 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.557 6.930 15.292 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.780 5.031 14.311 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.572 7.748 10.897 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.624 8.470 10.170 1.00 0.00 C ATOM 1125 C PRO A 76 -5.490 8.327 8.657 1.00 0.00 C ATOM 1126 O PRO A 76 -6.381 8.724 7.906 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.420 9.933 10.585 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.618 9.874 11.840 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.748 8.660 11.709 1.00 0.00 C ATOM 0 HA PRO A 76 -6.614 8.081 10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.898 10.493 9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.375 10.432 10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.017 10.775 11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.264 9.800 12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.802 8.892 11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.507 8.229 12.681 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.371 7.758 8.215 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.118 7.583 6.789 1.00 0.00 C ATOM 1139 C LEU A 77 -4.453 6.168 6.326 1.00 0.00 C ATOM 1140 O LEU A 77 -4.918 5.974 5.202 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.657 7.907 6.465 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.240 9.365 6.688 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.358 10.325 6.302 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.833 9.571 8.133 1.00 0.00 C ATOM 0 H LEU A 77 -3.628 7.412 8.822 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.769 8.274 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.018 7.267 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.468 7.648 5.423 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.386 9.579 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.031 11.351 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.604 10.192 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.240 10.120 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.538 10.609 8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.674 9.334 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.994 8.917 8.371 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.207 5.177 7.182 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.500 3.791 6.829 1.00 0.00 C ATOM 1158 C ILE A 78 -5.982 3.616 6.532 1.00 0.00 C ATOM 1159 O ILE A 78 -6.359 2.898 5.610 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.122 2.801 7.939 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.833 3.232 8.642 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.993 1.399 7.359 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.597 3.101 7.782 1.00 0.00 C ATOM 0 H ILE A 78 -3.811 5.306 8.113 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.897 3.574 5.947 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.913 2.794 8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.934 4.269 8.962 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.703 2.632 9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.725 0.701 8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.943 1.099 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.219 1.392 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.724 3.425 8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.470 2.060 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.704 3.723 6.893 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.813 4.268 7.341 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.263 4.204 7.184 1.00 0.00 C ATOM 1177 C GLN A 79 -8.666 4.471 5.735 1.00 0.00 C ATOM 1178 O GLN A 79 -9.775 4.145 5.312 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.933 5.226 8.102 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.407 4.642 9.422 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.737 5.709 10.448 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.904 5.982 10.725 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -8.704 6.318 11.020 1.00 0.00 N ATOM 0 H GLN A 79 -6.503 4.851 8.118 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.592 3.201 7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.231 6.035 8.304 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.785 5.665 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.290 4.027 9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.635 3.985 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.752 6.060 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.863 7.044 11.719 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.756 5.083 4.991 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.981 5.391 3.584 1.00 0.00 C ATOM 1194 C ALA A 80 -7.661 4.186 2.705 1.00 0.00 C ATOM 1195 O ALA A 80 -8.382 3.894 1.750 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.139 6.587 3.166 1.00 0.00 C ATOM 0 H ALA A 80 -6.845 5.379 5.342 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.035 5.638 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.316 6.807 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.413 7.453 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.084 6.359 3.316 1.00 0.00 H new ATOM 1202 N MET A 81 -6.568 3.499 3.027 1.00 0.00 N ATOM 1203 CA MET A 81 -6.156 2.315 2.278 1.00 0.00 C ATOM 1204 C MET A 81 -7.114 1.163 2.538 1.00 0.00 C ATOM 1205 O MET A 81 -7.423 0.373 1.645 1.00 0.00 O ATOM 1206 CB MET A 81 -4.739 1.892 2.687 1.00 0.00 C ATOM 1207 CG MET A 81 -3.844 3.052 3.083 1.00 0.00 C ATOM 1208 SD MET A 81 -2.226 2.980 2.296 1.00 0.00 S ATOM 1209 CE MET A 81 -1.244 2.282 3.619 1.00 0.00 C ATOM 0 H MET A 81 -5.951 3.742 3.802 1.00 0.00 H new ATOM 0 HA MET A 81 -6.169 2.563 1.217 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.805 1.195 3.522 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.277 1.355 1.859 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.332 3.990 2.817 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.717 3.055 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.247 2.723 3.604 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.720 2.494 4.576 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.165 1.203 3.483 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.548 1.062 3.786 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.426 -0.011 4.223 1.00 0.00 C ATOM 1221 C HIS A 82 -9.717 0.558 4.795 1.00 0.00 C ATOM 1222 O HIS A 82 -9.709 1.648 5.359 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.700 -0.836 5.288 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.270 -1.087 4.960 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.311 -1.068 5.929 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.693 -1.364 3.769 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.173 -1.301 5.314 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.356 -1.509 4.006 1.00 0.00 N ATOM 0 H HIS A 82 -7.301 1.722 4.523 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.680 -0.643 3.372 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.761 -0.317 6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.211 -1.791 5.410 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.192 -1.453 2.816 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.211 -1.322 5.804 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.636 -1.733 3.318 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.846 -0.164 4.656 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.140 0.288 5.183 1.00 0.00 C ATOM 1238 C PRO A 83 -12.099 0.473 6.698 1.00 0.00 C ATOM 1239 O PRO A 83 -12.612 -0.356 7.449 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.105 -0.845 4.806 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.420 -1.592 3.713 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.950 -1.476 3.996 1.00 0.00 C ATOM 0 HA PRO A 83 -12.433 1.256 4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.306 -1.492 5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.065 -0.451 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.734 -2.636 3.697 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.665 -1.170 2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.598 -2.282 4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.358 -1.517 3.082 1.00 0.00 H new ATOM 1250 N THR A 84 -11.456 1.556 7.136 1.00 0.00 N ATOM 1251 CA THR A 84 -11.298 1.844 8.556 1.00 0.00 C ATOM 1252 C THR A 84 -10.788 0.612 9.302 1.00 0.00 C ATOM 1253 O THR A 84 -11.066 0.431 10.488 1.00 0.00 O ATOM 1254 CB THR A 84 -12.626 2.311 9.156 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.395 3.004 8.188 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.457 3.225 10.350 1.00 0.00 C ATOM 0 H THR A 84 -11.034 2.251 6.520 1.00 0.00 H new ATOM 0 HA THR A 84 -10.564 2.643 8.663 1.00 0.00 H new ATOM 0 HB THR A 84 -13.130 1.402 9.486 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.241 3.294 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.437 3.518 10.725 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.910 2.702 11.134 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.902 4.114 10.052 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.047 -0.237 8.592 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.511 -1.462 9.174 1.00 0.00 C ATOM 1266 C LEU A 85 -8.247 -1.181 9.980 1.00 0.00 C ATOM 1267 O LEU A 85 -7.626 -2.099 10.516 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.211 -2.482 8.073 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.307 -3.526 7.844 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.205 -4.107 6.441 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.219 -4.628 8.888 1.00 0.00 C ATOM 0 H LEU A 85 -9.805 -0.097 7.611 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.263 -1.871 9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.039 -1.947 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.283 -2.999 8.320 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.276 -3.037 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.992 -4.847 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.318 -3.309 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.232 -4.582 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.005 -5.361 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.246 -5.116 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.342 -4.198 9.882 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.876 0.093 10.065 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.699 0.501 10.823 1.00 0.00 C ATOM 1285 C ALA A 86 -6.923 0.287 12.320 1.00 0.00 C ATOM 1286 O ALA A 86 -7.366 -0.782 12.741 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.362 1.954 10.523 1.00 0.00 C ATOM 0 H ALA A 86 -8.375 0.862 9.617 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.854 -0.117 10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.482 2.249 11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.159 2.068 9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.204 2.588 10.802 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.619 1.303 13.122 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.789 1.186 14.558 1.00 0.00 C ATOM 1295 C GLY A 87 -5.652 0.428 15.204 1.00 0.00 C ATOM 1296 O GLY A 87 -5.430 0.532 16.411 1.00 0.00 O ATOM 0 H GLY A 87 -6.259 2.203 12.804 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.857 2.181 14.997 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.730 0.679 14.771 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.914 -0.322 14.391 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.792 -1.105 14.887 1.00 0.00 C ATOM 1302 C LYS A 88 -2.772 -1.403 13.790 1.00 0.00 C ATOM 1303 O LYS A 88 -1.626 -1.714 14.091 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.290 -2.421 15.488 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.173 -3.303 16.023 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.496 -4.776 15.852 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.461 -5.471 14.986 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.443 -6.943 15.209 1.00 0.00 N ATOM 0 H LYS A 88 -5.074 -0.403 13.387 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.298 -0.509 15.655 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.988 -2.201 16.296 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.845 -2.971 14.728 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.244 -3.071 15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.010 -3.085 17.079 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.538 -5.257 16.829 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.482 -4.884 15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.671 -5.266 13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.474 -5.060 15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.906 -7.403 14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.993 -7.150 16.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.418 -7.305 15.213 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.185 -1.326 12.523 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.289 -1.636 11.416 1.00 0.00 C ATOM 1324 C ILE A 89 -0.956 -0.899 11.541 1.00 0.00 C ATOM 1325 O ILE A 89 0.036 -1.483 11.960 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.935 -1.310 10.054 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.229 -2.113 9.880 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.961 -1.609 8.923 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.117 -1.613 8.757 1.00 0.00 C ATOM 0 H ILE A 89 -4.127 -1.054 12.243 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.098 -2.708 11.465 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.179 -0.248 10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.975 -3.156 9.692 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.791 -2.085 10.814 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.430 -1.374 7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.064 -1.002 9.046 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.691 -2.665 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.012 -2.232 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.403 -0.579 8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.575 -1.667 7.813 1.00 0.00 H new ATOM 1341 N THR A 90 -0.931 0.375 11.165 1.00 0.00 N ATOM 1342 CA THR A 90 0.297 1.167 11.234 1.00 0.00 C ATOM 1343 C THR A 90 0.886 1.134 12.643 1.00 0.00 C ATOM 1344 O THR A 90 2.101 1.028 12.809 1.00 0.00 O ATOM 1345 CB THR A 90 0.018 2.604 10.781 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.728 2.892 9.588 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.384 3.669 11.794 1.00 0.00 C ATOM 0 H THR A 90 -1.742 0.882 10.810 1.00 0.00 H new ATOM 0 HA THR A 90 1.036 0.732 10.561 1.00 0.00 H new ATOM 0 HB THR A 90 -1.062 2.641 10.637 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.537 3.401 9.804 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.152 4.653 11.387 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.186 3.511 12.710 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.450 3.610 12.015 1.00 0.00 H new ATOM 1355 N GLY A 91 0.025 1.207 13.654 1.00 0.00 N ATOM 1356 CA GLY A 91 0.500 1.115 15.023 1.00 0.00 C ATOM 1357 C GLY A 91 1.232 -0.190 15.245 1.00 0.00 C ATOM 1358 O GLY A 91 2.150 -0.278 16.062 1.00 0.00 O ATOM 0 H GLY A 91 -0.983 1.327 13.552 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.163 1.952 15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.342 1.188 15.712 1.00 0.00 H new ATOM 1362 N MET A 92 0.835 -1.194 14.474 1.00 0.00 N ATOM 1363 CA MET A 92 1.466 -2.506 14.514 1.00 0.00 C ATOM 1364 C MET A 92 2.792 -2.458 13.792 1.00 0.00 C ATOM 1365 O MET A 92 3.757 -3.112 14.176 1.00 0.00 O ATOM 1366 CB MET A 92 0.580 -3.539 13.821 1.00 0.00 C ATOM 1367 CG MET A 92 0.762 -4.939 14.359 1.00 0.00 C ATOM 1368 SD MET A 92 0.748 -6.198 13.071 1.00 0.00 S ATOM 1369 CE MET A 92 -0.716 -5.730 12.154 1.00 0.00 C ATOM 0 H MET A 92 0.068 -1.122 13.805 1.00 0.00 H new ATOM 0 HA MET A 92 1.614 -2.785 15.557 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.464 -3.247 13.934 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.798 -3.536 12.753 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.706 -4.993 14.902 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.031 -5.152 15.076 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.452 -6.532 12.209 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.138 -4.821 12.582 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.451 -5.552 11.112 1.00 0.00 H new ATOM 1379 N LEU A 93 2.803 -1.683 12.723 1.00 0.00 N ATOM 1380 CA LEU A 93 3.972 -1.531 11.874 1.00 0.00 C ATOM 1381 C LEU A 93 5.184 -1.063 12.667 1.00 0.00 C ATOM 1382 O LEU A 93 6.303 -1.039 12.155 1.00 0.00 O ATOM 1383 CB LEU A 93 3.659 -0.552 10.758 1.00 0.00 C ATOM 1384 CG LEU A 93 3.062 -1.186 9.500 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.088 -2.079 8.819 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.812 -1.977 9.847 1.00 0.00 C ATOM 0 H LEU A 93 1.997 -1.138 12.417 1.00 0.00 H new ATOM 0 HA LEU A 93 4.218 -2.504 11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.964 0.198 11.135 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.575 -0.028 10.485 1.00 0.00 H new ATOM 0 HG LEU A 93 2.784 -0.391 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.648 -2.523 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.958 -1.485 8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.394 -2.870 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.400 -2.422 8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.065 -2.766 10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.073 -1.312 10.294 1.00 0.00 H new ATOM 1398 N LEU A 94 4.955 -0.687 13.914 1.00 0.00 N ATOM 1399 CA LEU A 94 6.033 -0.288 14.793 1.00 0.00 C ATOM 1400 C LEU A 94 6.277 -1.391 15.810 1.00 0.00 C ATOM 1401 O LEU A 94 6.701 -1.139 16.938 1.00 0.00 O ATOM 1402 CB LEU A 94 5.683 1.025 15.489 1.00 0.00 C ATOM 1403 CG LEU A 94 6.289 2.278 14.847 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.776 2.363 15.151 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.046 2.285 13.341 1.00 0.00 C ATOM 0 H LEU A 94 4.028 -0.651 14.338 1.00 0.00 H new ATOM 0 HA LEU A 94 6.943 -0.130 14.214 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.598 1.132 15.507 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.015 0.969 16.526 1.00 0.00 H new ATOM 0 HG LEU A 94 5.799 3.154 15.273 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.191 3.258 14.688 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.925 2.410 16.230 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.280 1.482 14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.484 3.183 12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.506 1.404 12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.974 2.273 13.145 1.00 0.00 H new ATOM 1417 N GLU A 95 5.968 -2.619 15.395 1.00 0.00 N ATOM 1418 CA GLU A 95 6.116 -3.784 16.257 1.00 0.00 C ATOM 1419 C GLU A 95 5.927 -5.088 15.481 1.00 0.00 C ATOM 1420 O GLU A 95 6.021 -6.172 16.059 1.00 0.00 O ATOM 1421 CB GLU A 95 5.110 -3.718 17.410 1.00 0.00 C ATOM 1422 CG GLU A 95 3.687 -4.083 17.009 1.00 0.00 C ATOM 1423 CD GLU A 95 2.816 -4.432 18.199 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.966 -3.784 19.256 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.984 -5.355 18.075 1.00 0.00 O ATOM 0 H GLU A 95 5.612 -2.830 14.463 1.00 0.00 H new ATOM 0 HA GLU A 95 7.131 -3.773 16.655 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.437 -4.390 18.203 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.113 -2.710 17.825 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.240 -3.248 16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.713 -4.929 16.322 1.00 0.00 H new ATOM 1432 N ILE A 96 5.670 -4.990 14.172 1.00 0.00 N ATOM 1433 CA ILE A 96 5.468 -6.190 13.352 1.00 0.00 C ATOM 1434 C ILE A 96 6.732 -7.049 13.295 1.00 0.00 C ATOM 1435 O ILE A 96 7.549 -7.052 14.216 1.00 0.00 O ATOM 1436 CB ILE A 96 5.078 -5.859 11.893 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.251 -5.221 11.151 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.848 -4.974 11.819 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.584 -3.827 11.603 1.00 0.00 C ATOM 0 H ILE A 96 5.598 -4.108 13.664 1.00 0.00 H new ATOM 0 HA ILE A 96 4.653 -6.728 13.835 1.00 0.00 H new ATOM 0 HB ILE A 96 4.828 -6.800 11.404 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.131 -5.851 11.277 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.024 -5.200 10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.611 -4.767 10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.006 -5.482 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.043 -4.036 12.340 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.428 -3.449 11.025 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.721 -3.179 11.451 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.846 -3.840 12.661 1.00 0.00 H new ATOM 1451 N ASP A 97 6.898 -7.735 12.163 1.00 0.00 N ATOM 1452 CA ASP A 97 8.075 -8.540 11.890 1.00 0.00 C ATOM 1453 C ASP A 97 9.350 -7.718 12.056 1.00 0.00 C ATOM 1454 O ASP A 97 10.456 -8.257 12.018 1.00 0.00 O ATOM 1455 CB ASP A 97 7.985 -9.062 10.457 1.00 0.00 C ATOM 1456 CG ASP A 97 8.803 -10.319 10.238 1.00 0.00 C ATOM 1457 OD1 ASP A 97 10.044 -10.210 10.146 1.00 0.00 O ATOM 1458 OD2 ASP A 97 8.203 -11.411 10.156 1.00 0.00 O ATOM 0 H ASP A 97 6.211 -7.743 11.409 1.00 0.00 H new ATOM 0 HA ASP A 97 8.113 -9.369 12.597 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.942 -9.266 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.327 -8.287 9.771 1.00 0.00 H new ATOM 1463 N ASN A 98 9.169 -6.405 12.202 1.00 0.00 N ATOM 1464 CA ASN A 98 10.267 -5.457 12.364 1.00 0.00 C ATOM 1465 C ASN A 98 10.907 -5.126 11.024 1.00 0.00 C ATOM 1466 O ASN A 98 11.516 -4.067 10.862 1.00 0.00 O ATOM 1467 CB ASN A 98 11.320 -5.977 13.348 1.00 0.00 C ATOM 1468 CG ASN A 98 11.169 -5.373 14.731 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.375 -4.175 14.923 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.809 -6.203 15.703 1.00 0.00 N ATOM 0 H ASN A 98 8.247 -5.968 12.211 1.00 0.00 H new ATOM 0 HA ASN A 98 9.845 -4.542 12.779 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.243 -7.062 13.418 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.315 -5.752 12.963 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.693 -5.854 16.654 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.649 -7.189 15.498 1.00 0.00 H new ATOM 1477 N SER A 99 10.747 -6.020 10.055 1.00 0.00 N ATOM 1478 CA SER A 99 11.267 -5.784 8.717 1.00 0.00 C ATOM 1479 C SER A 99 10.374 -4.790 7.991 1.00 0.00 C ATOM 1480 O SER A 99 10.841 -3.987 7.185 1.00 0.00 O ATOM 1481 CB SER A 99 11.356 -7.090 7.931 1.00 0.00 C ATOM 1482 OG SER A 99 10.547 -7.047 6.768 1.00 0.00 O ATOM 0 H SER A 99 10.263 -6.910 10.172 1.00 0.00 H new ATOM 0 HA SER A 99 12.272 -5.371 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.392 -7.277 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.043 -7.920 8.564 1.00 0.00 H new ATOM 0 HG SER A 99 9.604 -7.130 7.022 1.00 0.00 H new ATOM 1488 N GLU A 100 9.085 -4.838 8.310 1.00 0.00 N ATOM 1489 CA GLU A 100 8.119 -3.907 7.746 1.00 0.00 C ATOM 1490 C GLU A 100 8.346 -2.518 8.318 1.00 0.00 C ATOM 1491 O GLU A 100 8.096 -1.511 7.658 1.00 0.00 O ATOM 1492 CB GLU A 100 6.699 -4.370 8.048 1.00 0.00 C ATOM 1493 CG GLU A 100 6.331 -5.680 7.380 1.00 0.00 C ATOM 1494 CD GLU A 100 6.788 -6.890 8.166 1.00 0.00 C ATOM 1495 OE1 GLU A 100 7.949 -7.313 7.982 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.981 -7.422 8.956 1.00 0.00 O ATOM 0 H GLU A 100 8.685 -5.516 8.959 1.00 0.00 H new ATOM 0 HA GLU A 100 8.252 -3.874 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.583 -4.477 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.999 -3.599 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.250 -5.725 7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.773 -5.711 6.384 1.00 0.00 H new ATOM 1503 N LEU A 101 8.843 -2.480 9.549 1.00 0.00 N ATOM 1504 CA LEU A 101 9.143 -1.223 10.215 1.00 0.00 C ATOM 1505 C LEU A 101 10.334 -0.547 9.550 1.00 0.00 C ATOM 1506 O LEU A 101 10.458 0.676 9.565 1.00 0.00 O ATOM 1507 CB LEU A 101 9.434 -1.472 11.702 1.00 0.00 C ATOM 1508 CG LEU A 101 9.690 -0.222 12.559 1.00 0.00 C ATOM 1509 CD1 LEU A 101 11.168 0.139 12.552 1.00 0.00 C ATOM 1510 CD2 LEU A 101 8.848 0.955 12.084 1.00 0.00 C ATOM 0 H LEU A 101 9.047 -3.310 10.106 1.00 0.00 H new ATOM 0 HA LEU A 101 8.278 -0.565 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.592 -2.015 12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.305 -2.124 11.777 1.00 0.00 H new ATOM 0 HG LEU A 101 9.395 -0.452 13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.329 1.026 13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.747 -0.691 12.957 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.488 0.340 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.051 1.824 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.098 1.187 11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.791 0.698 12.153 1.00 0.00 H new ATOM 1522 N LEU A 102 11.198 -1.357 8.950 1.00 0.00 N ATOM 1523 CA LEU A 102 12.385 -0.850 8.279 1.00 0.00 C ATOM 1524 C LEU A 102 12.092 -0.495 6.826 1.00 0.00 C ATOM 1525 O LEU A 102 12.500 0.560 6.338 1.00 0.00 O ATOM 1526 CB LEU A 102 13.499 -1.897 8.328 1.00 0.00 C ATOM 1527 CG LEU A 102 14.630 -1.595 9.313 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.220 -1.974 10.728 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.899 -2.329 8.908 1.00 0.00 C ATOM 0 H LEU A 102 11.097 -2.371 8.915 1.00 0.00 H new ATOM 0 HA LEU A 102 12.701 0.054 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.060 -2.860 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.925 -1.999 7.330 1.00 0.00 H new ATOM 0 HG LEU A 102 14.831 -0.524 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.037 -1.752 11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.338 -1.403 11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.991 -3.039 10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.693 -2.103 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.712 -3.403 8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.203 -2.008 7.911 1.00 0.00 H new ATOM 1541 N HIS A 103 11.409 -1.398 6.132 1.00 0.00 N ATOM 1542 CA HIS A 103 11.102 -1.209 4.726 1.00 0.00 C ATOM 1543 C HIS A 103 10.147 -0.039 4.513 1.00 0.00 C ATOM 1544 O HIS A 103 10.297 0.721 3.558 1.00 0.00 O ATOM 1545 CB HIS A 103 10.498 -2.493 4.159 1.00 0.00 C ATOM 1546 CG HIS A 103 11.105 -2.921 2.859 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.410 -2.010 1.876 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.445 -4.163 2.435 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.923 -2.711 0.880 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.964 -4.018 1.174 1.00 0.00 N ATOM 0 H HIS A 103 11.058 -2.271 6.526 1.00 0.00 H new ATOM 0 HA HIS A 103 12.029 -0.976 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.620 -3.294 4.888 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.427 -2.349 4.020 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.330 -5.086 2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.265 -2.285 -0.052 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.315 -4.764 0.573 1.00 0.00 H new ATOM 1558 N MET A 104 9.161 0.096 5.396 1.00 0.00 N ATOM 1559 CA MET A 104 8.183 1.172 5.284 1.00 0.00 C ATOM 1560 C MET A 104 8.865 2.536 5.277 1.00 0.00 C ATOM 1561 O MET A 104 8.405 3.465 4.615 1.00 0.00 O ATOM 1562 CB MET A 104 7.194 1.110 6.448 1.00 0.00 C ATOM 1563 CG MET A 104 7.792 1.593 7.748 1.00 0.00 C ATOM 1564 SD MET A 104 6.875 1.030 9.191 1.00 0.00 S ATOM 1565 CE MET A 104 5.195 1.275 8.625 1.00 0.00 C ATOM 0 H MET A 104 9.019 -0.524 6.193 1.00 0.00 H new ATOM 0 HA MET A 104 7.651 1.041 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.319 1.715 6.209 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.848 0.084 6.571 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.822 1.245 7.820 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.823 2.683 7.745 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.520 1.284 9.481 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.124 2.226 8.097 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.916 0.464 7.952 1.00 0.00 H new ATOM 1575 N LEU A 105 9.942 2.661 6.049 1.00 0.00 N ATOM 1576 CA LEU A 105 10.674 3.917 6.144 1.00 0.00 C ATOM 1577 C LEU A 105 11.698 4.032 5.031 1.00 0.00 C ATOM 1578 O LEU A 105 12.304 5.086 4.838 1.00 0.00 O ATOM 1579 CB LEU A 105 11.386 4.026 7.496 1.00 0.00 C ATOM 1580 CG LEU A 105 10.575 3.560 8.704 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.454 3.499 9.943 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.391 4.484 8.933 1.00 0.00 C ATOM 0 H LEU A 105 10.326 1.906 6.617 1.00 0.00 H new ATOM 0 HA LEU A 105 9.951 4.728 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.306 3.443 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.674 5.065 7.653 1.00 0.00 H new ATOM 0 HG LEU A 105 10.197 2.558 8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.860 3.165 10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.272 2.799 9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.860 4.489 10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.822 4.140 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.750 5.497 9.115 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.750 4.479 8.051 1.00 0.00 H new ATOM 1594 N GLU A 106 11.908 2.937 4.312 1.00 0.00 N ATOM 1595 CA GLU A 106 12.906 2.918 3.255 1.00 0.00 C ATOM 1596 C GLU A 106 12.274 2.858 1.867 1.00 0.00 C ATOM 1597 O GLU A 106 12.971 2.985 0.861 1.00 0.00 O ATOM 1598 CB GLU A 106 13.859 1.732 3.454 1.00 0.00 C ATOM 1599 CG GLU A 106 13.448 0.473 2.704 1.00 0.00 C ATOM 1600 CD GLU A 106 14.266 0.248 1.448 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.511 0.247 1.544 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.663 0.074 0.369 1.00 0.00 O ATOM 0 H GLU A 106 11.405 2.059 4.441 1.00 0.00 H new ATOM 0 HA GLU A 106 13.466 3.851 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.858 2.024 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.921 1.504 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.556 -0.389 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.393 0.541 2.438 1.00 0.00 H new ATOM 1609 N SER A 107 10.961 2.657 1.807 1.00 0.00 N ATOM 1610 CA SER A 107 10.280 2.563 0.519 1.00 0.00 C ATOM 1611 C SER A 107 8.927 3.271 0.538 1.00 0.00 C ATOM 1612 O SER A 107 8.114 3.051 1.435 1.00 0.00 O ATOM 1613 CB SER A 107 10.094 1.097 0.127 1.00 0.00 C ATOM 1614 OG SER A 107 10.157 0.932 -1.280 1.00 0.00 O ATOM 0 H SER A 107 10.355 2.557 2.621 1.00 0.00 H new ATOM 0 HA SER A 107 10.907 3.062 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.865 0.490 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.133 0.738 0.496 1.00 0.00 H new ATOM 0 HG SER A 107 10.037 -0.014 -1.504 1.00 0.00 H new ATOM 1620 N PRO A 108 8.657 4.117 -0.478 1.00 0.00 N ATOM 1621 CA PRO A 108 7.391 4.852 -0.591 1.00 0.00 C ATOM 1622 C PRO A 108 6.218 3.927 -0.902 1.00 0.00 C ATOM 1623 O PRO A 108 5.089 4.380 -1.086 1.00 0.00 O ATOM 1624 CB PRO A 108 7.625 5.822 -1.759 1.00 0.00 C ATOM 1625 CG PRO A 108 9.095 5.792 -2.019 1.00 0.00 C ATOM 1626 CD PRO A 108 9.565 4.434 -1.590 1.00 0.00 C ATOM 0 HA PRO A 108 7.132 5.352 0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.065 5.514 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.293 6.829 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.308 5.963 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.606 6.576 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.488 3.705 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.607 4.448 -1.271 1.00 0.00 H new ATOM 1634 N GLU A 109 6.501 2.631 -0.971 1.00 0.00 N ATOM 1635 CA GLU A 109 5.476 1.635 -1.257 1.00 0.00 C ATOM 1636 C GLU A 109 5.483 0.540 -0.203 1.00 0.00 C ATOM 1637 O GLU A 109 4.564 -0.271 -0.139 1.00 0.00 O ATOM 1638 CB GLU A 109 5.703 1.027 -2.641 1.00 0.00 C ATOM 1639 CG GLU A 109 5.686 2.049 -3.766 1.00 0.00 C ATOM 1640 CD GLU A 109 5.793 1.412 -5.137 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.755 0.953 -5.661 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.913 1.373 -5.689 1.00 0.00 O ATOM 0 H GLU A 109 7.435 2.245 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 109 4.504 2.128 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.661 0.508 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.934 0.278 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.765 2.629 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.511 2.748 -3.629 1.00 0.00 H new ATOM 1649 N SER A 110 6.525 0.517 0.623 1.00 0.00 N ATOM 1650 CA SER A 110 6.607 -0.460 1.698 1.00 0.00 C ATOM 1651 C SER A 110 5.700 -0.039 2.836 1.00 0.00 C ATOM 1652 O SER A 110 4.898 -0.826 3.325 1.00 0.00 O ATOM 1653 CB SER A 110 8.042 -0.615 2.191 1.00 0.00 C ATOM 1654 OG SER A 110 8.669 -1.731 1.584 1.00 0.00 O ATOM 0 H SER A 110 7.316 1.158 0.568 1.00 0.00 H new ATOM 0 HA SER A 110 6.281 -1.427 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.607 0.290 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.047 -0.735 3.274 1.00 0.00 H new ATOM 0 HG SER A 110 9.622 -1.541 1.456 1.00 0.00 H new ATOM 1660 N LEU A 111 5.768 1.236 3.187 1.00 0.00 N ATOM 1661 CA LEU A 111 4.893 1.793 4.197 1.00 0.00 C ATOM 1662 C LEU A 111 3.459 1.344 3.926 1.00 0.00 C ATOM 1663 O LEU A 111 2.740 0.928 4.834 1.00 0.00 O ATOM 1664 CB LEU A 111 5.005 3.324 4.150 1.00 0.00 C ATOM 1665 CG LEU A 111 4.483 4.104 5.366 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.103 3.623 5.795 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.472 4.017 6.514 1.00 0.00 C ATOM 0 H LEU A 111 6.425 1.904 2.783 1.00 0.00 H new ATOM 0 HA LEU A 111 5.180 1.445 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.055 3.582 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.469 3.675 3.268 1.00 0.00 H new ATOM 0 HG LEU A 111 4.382 5.149 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.769 4.199 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.399 3.758 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.152 2.567 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.088 4.575 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.612 2.973 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.427 4.441 6.204 1.00 0.00 H new ATOM 1679 N ARG A 112 3.085 1.352 2.654 1.00 0.00 N ATOM 1680 CA ARG A 112 1.748 0.944 2.249 1.00 0.00 C ATOM 1681 C ARG A 112 1.630 -0.579 2.177 1.00 0.00 C ATOM 1682 O ARG A 112 0.846 -1.179 2.908 1.00 0.00 O ATOM 1683 CB ARG A 112 1.393 1.578 0.901 1.00 0.00 C ATOM 1684 CG ARG A 112 0.560 0.685 -0.001 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.093 1.480 -1.119 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.269 0.683 -2.329 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.103 1.161 -3.559 1.00 0.00 C ATOM 1688 NH1 ARG A 112 0.238 2.430 -3.740 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -0.281 0.371 -4.609 1.00 0.00 N ATOM 0 H ARG A 112 3.690 1.637 1.884 1.00 0.00 H new ATOM 0 HA ARG A 112 1.041 1.294 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.849 2.506 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.314 1.843 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.192 -0.094 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.208 0.185 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.063 1.848 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.518 2.354 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.534 -0.296 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.373 3.041 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.365 2.794 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.546 -0.605 -4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.153 0.739 -5.552 1.00 0.00 H new ATOM 1703 N SER A 113 2.399 -1.192 1.278 1.00 0.00 N ATOM 1704 CA SER A 113 2.364 -2.641 1.094 1.00 0.00 C ATOM 1705 C SER A 113 2.468 -3.365 2.429 1.00 0.00 C ATOM 1706 O SER A 113 1.610 -4.176 2.775 1.00 0.00 O ATOM 1707 CB SER A 113 3.498 -3.089 0.171 1.00 0.00 C ATOM 1708 OG SER A 113 3.296 -4.417 -0.278 1.00 0.00 O ATOM 0 H SER A 113 3.054 -0.706 0.665 1.00 0.00 H new ATOM 0 HA SER A 113 1.408 -2.897 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.560 -2.418 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.449 -3.021 0.699 1.00 0.00 H new ATOM 0 HG SER A 113 4.034 -4.679 -0.868 1.00 0.00 H new ATOM 1714 N LYS A 114 3.518 -3.056 3.181 1.00 0.00 N ATOM 1715 CA LYS A 114 3.735 -3.671 4.483 1.00 0.00 C ATOM 1716 C LYS A 114 2.544 -3.429 5.406 1.00 0.00 C ATOM 1717 O LYS A 114 2.237 -4.265 6.254 1.00 0.00 O ATOM 1718 CB LYS A 114 5.017 -3.135 5.127 1.00 0.00 C ATOM 1719 CG LYS A 114 6.257 -3.318 4.264 1.00 0.00 C ATOM 1720 CD LYS A 114 6.550 -4.788 4.005 1.00 0.00 C ATOM 1721 CE LYS A 114 7.858 -4.971 3.253 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.702 -5.868 2.074 1.00 0.00 N ATOM 0 H LYS A 114 4.233 -2.381 2.910 1.00 0.00 H new ATOM 0 HA LYS A 114 3.842 -4.745 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.889 -2.074 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.172 -3.638 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.119 -2.802 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.114 -2.857 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.596 -5.323 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.734 -5.227 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.226 -3.999 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.609 -5.384 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.617 -5.966 1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.376 -6.803 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.005 -5.461 1.418 1.00 0.00 H new ATOM 1736 N VAL A 115 1.867 -2.291 5.238 1.00 0.00 N ATOM 1737 CA VAL A 115 0.693 -1.996 6.049 1.00 0.00 C ATOM 1738 C VAL A 115 -0.458 -2.918 5.646 1.00 0.00 C ATOM 1739 O VAL A 115 -0.925 -3.716 6.455 1.00 0.00 O ATOM 1740 CB VAL A 115 0.273 -0.509 5.946 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.240 -0.346 5.984 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.911 0.295 7.069 1.00 0.00 C ATOM 0 H VAL A 115 2.110 -1.571 4.557 1.00 0.00 H new ATOM 0 HA VAL A 115 0.950 -2.178 7.093 1.00 0.00 H new ATOM 0 HB VAL A 115 0.624 -0.133 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.494 0.711 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.685 -0.886 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.626 -0.746 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.609 1.339 6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.586 -0.102 8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.996 0.225 6.996 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.848 -2.861 4.370 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.914 -3.718 3.852 1.00 0.00 C ATOM 1754 C ASP A 116 -1.684 -5.181 4.232 1.00 0.00 C ATOM 1755 O ASP A 116 -2.627 -5.905 4.556 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.008 -3.583 2.331 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.009 -4.547 1.725 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.200 -4.480 2.099 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -2.604 -5.369 0.877 1.00 0.00 O ATOM 0 H ASP A 116 -0.441 -2.231 3.679 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.853 -3.394 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.292 -2.562 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.026 -3.760 1.892 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.427 -5.608 4.189 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.073 -6.976 4.546 1.00 0.00 C ATOM 1766 C GLU A 117 -0.233 -7.186 6.047 1.00 0.00 C ATOM 1767 O GLU A 117 -0.784 -8.196 6.486 1.00 0.00 O ATOM 1768 CB GLU A 117 1.365 -7.276 4.102 1.00 0.00 C ATOM 1769 CG GLU A 117 2.243 -7.877 5.188 1.00 0.00 C ATOM 1770 CD GLU A 117 3.460 -8.587 4.628 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.288 -9.647 3.988 1.00 0.00 O ATOM 1772 OE2 GLU A 117 4.585 -8.085 4.829 1.00 0.00 O ATOM 0 H GLU A 117 0.363 -5.027 3.911 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.744 -7.665 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.336 -7.961 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.824 -6.352 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.568 -7.088 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.655 -8.581 5.777 1.00 0.00 H new ATOM 1779 N ALA A 118 0.237 -6.217 6.826 1.00 0.00 N ATOM 1780 CA ALA A 118 0.110 -6.285 8.275 1.00 0.00 C ATOM 1781 C ALA A 118 -1.355 -6.395 8.662 1.00 0.00 C ATOM 1782 O ALA A 118 -1.693 -6.980 9.685 1.00 0.00 O ATOM 1783 CB ALA A 118 0.746 -5.074 8.935 1.00 0.00 C ATOM 0 H ALA A 118 0.707 -5.380 6.480 1.00 0.00 H new ATOM 0 HA ALA A 118 0.637 -7.172 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.637 -5.150 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.805 -5.034 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.253 -4.167 8.584 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.221 -5.833 7.823 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.657 -5.915 8.039 1.00 0.00 C ATOM 1791 C VAL A 119 -4.079 -7.362 8.126 1.00 0.00 C ATOM 1792 O VAL A 119 -4.746 -7.777 9.069 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.422 -5.259 6.893 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.903 -5.166 7.200 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.846 -3.898 6.628 1.00 0.00 C ATOM 0 H VAL A 119 -1.950 -5.316 6.987 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.885 -5.394 8.969 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.316 -5.877 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.419 -4.694 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.306 -6.167 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.051 -4.570 8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.390 -3.426 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.935 -3.284 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.795 -3.994 6.357 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.664 -8.123 7.126 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.935 -9.544 7.081 1.00 0.00 C ATOM 1807 C ALA A 120 -3.452 -10.206 8.367 1.00 0.00 C ATOM 1808 O ALA A 120 -3.993 -11.219 8.810 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.245 -10.145 5.868 1.00 0.00 C ATOM 0 H ALA A 120 -3.133 -7.772 6.329 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.008 -9.714 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.446 -11.216 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.624 -9.671 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.170 -9.980 5.942 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.449 -9.584 8.978 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.872 -10.069 10.222 1.00 0.00 C ATOM 1817 C VAL A 121 -2.651 -9.542 11.425 1.00 0.00 C ATOM 1818 O VAL A 121 -2.740 -10.204 12.461 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.393 -9.639 10.325 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.100 -9.684 11.760 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.472 -10.506 9.427 1.00 0.00 C ATOM 0 H VAL A 121 -2.015 -8.731 8.624 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.930 -11.157 10.223 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.318 -8.605 9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.145 -9.375 11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.499 -9.009 12.372 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.009 -10.700 12.144 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.512 -10.191 9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.383 -11.549 9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.143 -10.401 8.393 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.216 -8.347 11.280 1.00 0.00 N ATOM 1832 CA LEU A 122 -4.001 -7.736 12.346 1.00 0.00 C ATOM 1833 C LEU A 122 -5.340 -8.448 12.477 1.00 0.00 C ATOM 1834 O LEU A 122 -5.818 -8.698 13.582 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.200 -6.239 12.069 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.654 -5.772 11.932 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.071 -4.968 13.154 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.832 -4.952 10.666 1.00 0.00 C ATOM 0 H LEU A 122 -3.144 -7.783 10.433 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.463 -7.837 13.289 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.732 -5.674 12.875 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.669 -5.985 11.152 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.295 -6.651 11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.106 -4.644 13.041 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.980 -5.588 14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.426 -4.095 13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.870 -4.629 10.585 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.182 -4.078 10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.572 -5.560 9.799 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.932 -8.781 11.335 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.196 -9.495 11.308 1.00 0.00 C ATOM 1852 C GLN A 123 -7.030 -10.854 11.970 1.00 0.00 C ATOM 1853 O GLN A 123 -7.902 -11.310 12.711 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.684 -9.653 9.866 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.334 -8.399 9.303 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.601 -8.016 10.040 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.591 -7.131 10.897 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.702 -8.680 9.710 1.00 0.00 N ATOM 0 H GLN A 123 -5.552 -8.565 10.414 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.943 -8.924 11.860 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.840 -9.930 9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.399 -10.474 9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.625 -7.573 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.565 -8.556 8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.665 -9.406 8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.585 -8.464 10.172 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.877 -11.470 11.736 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.548 -12.741 12.359 1.00 0.00 C ATOM 1869 C ALA A 124 -5.363 -12.560 13.857 1.00 0.00 C ATOM 1870 O ALA A 124 -6.275 -12.837 14.632 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.291 -13.324 11.733 1.00 0.00 C ATOM 0 H ALA A 124 -5.153 -11.106 11.116 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.371 -13.436 12.194 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.056 -14.276 12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.455 -13.482 10.667 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.460 -12.633 11.874 1.00 0.00 H new